2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide

C17H20ClN3O — CID 126836207

IUPAC2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
SMILESCN(C)CCc1ccc(NC(=O)Cc2cccnc2Cl)cc1
InChIInChI=1S/C17H20ClN3O/c1-21(2)11-9-13-5-7-15(8-6-13)20-16(22)12-14-4-3-10-19-17(14)18/h3-8,10H,9,11-12H2,1-2H3,(H,20,22)
InChIKeyVIRYCUCJJKHPCS-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide

2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide (PubChem CID 126836207) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
PubChem CID126836207
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
SMILESCN(C)CCc1ccc(NC(=O)Cc2cccnc2Cl)cc1
InChIInChI=1S/C17H20ClN3O/c1-21(2)11-9-13-5-7-15(8-6-13)20-16(22)12-14-4-3-10-19-17(14)18/h3-8,10H,9,11-12H2,1-2H3,(H,20,22)
InChIKeyVIRYCUCJJKHPCS-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 136529868
3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115641584
(2S)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606770
(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606771
N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
CID 139691105
1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
CID 119047435
2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide
CID 81311722
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 112981313

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide (CID 126836207) is 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide is CN(C)CCc1ccc(NC(=O)Cc2cccnc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide?
The InChIKey is VIRYCUCJJKHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-21(2)11-9-13-5-7-15(8-6-13)20-16(22)12-14-4-3-10-19-17(14)18/h3-8,10H,9,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide?
2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 126836207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).